1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone Openeye Name: 1-[7-(3-chlorophenyl)-9-(3-thienylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone CAS Name: 1-[7-(3-chlorophenyl)-9-(3-thiophenylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(thiophen-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone Traditional Name: 1-[7-(3-chlorophenyl)-9-(3-thenyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CSC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CSC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClNO4S/c1-27-14-22(26)25-6-7-28-23-19(12-25)9-18(17-3-2-4-20(24)10-17)11-21(23)29-13-16-5-8-30-15-16/h2-5,8-11,15H,6-7,12-14H2,1H3